SCHEMBL23635155

SCHEMBL23635155

Cc1ncc(C(=O)NC2=C=CC=C(c3cc(NC4CC4)cc(N4CCN(C)CC4)c3)C=C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDLR P01130 2/20 0.38
PCSK9 Q8NBP7 2/20 0.38
BRD4 O60885 2/20 0.37
ABL1 P00519 2/20 0.36
SRC P12931 1/20 0.36
SYK P43405 1/20 0.35
JAK2 O60674 1/20 0.35
RIPK2 O43353 2/20 0.34
KDR P35968 2/20 0.34
HDAC1 Q13547 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK14 Q16539 2/20 0.34
DYRK1A Q13627 2/20 0.33
BRAF P15056 2/20 0.33
LCK P06239 1/20 0.33
EGFR P00533 1/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23635162 0.88 DYRK1A (0.34) LDLRPCSK9BRD4ABL1RIPK2
SCHEMBL17027858 0.78 DYRK1A (0.47) LDLRPCSK9ABL1KDRHDAC1
SCHEMBL18979428 0.76 DYRK1A (0.41) LDLRPCSK9BRD4ABL1SYK
SCHEMBL23635153 0.73 F10 (0.37) LDLRPCSK9SRCHDAC1DYRK1A
SCHEMBL23635154 0.70 PIK3CA (0.39)
SCHEMBL24187480 0.66 RAB9A (0.51) LDLRPCSK9NPC1RAB9A
SCHEMBL18996612 0.66 DYRK1A (0.48) ABL1DYRK1AGSK3B
SCHEMBL17027809 0.64 DYRK1A (0.42) ABL1DYRK1AGSK3B
SCHEMBL28941910 0.63 DYRK1A (0.49) HDAC1DYRK1AGSK3B
SCHEMBL17027818 0.63 F10 (0.54) DYRK1AGSK3BRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107909-B1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2021-07-14 EP disclosed